5-azanylidene-3-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazole-1-carbodithioic acid

Systemtic Name: 5-azanylidene-3-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazole-1-carbodithioic acid Openeye Name: 4-benzyl-5-imino-3-methylsulfanyl-1,2,4-triazole-1-carbodithioic acid CAS Name: 5-imino-3-(methylthio)-4-(phenylmethyl)-1,2,4-triazole-1-carbodithioic acid IUPAC Name: 4-benzyl-5-imino-3-methylsulfanyl-1,2,4-triazole-1-carbodithioic acid Traditional Name: 4-benzyl-5-imino-3-(methylthio)-1,2,4-triazole-1-carbodithioic acid Formula: C11H12N4S3 MolecularWeight: 296.43478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N)N1CC2=CC=CC=C2)C(=S)S

Isomeric SMILES

CSC1=NN(C(=N)N1CC2=CC=CC=C2)C(=S)S

InChI

InChI=1S/C11H12N4S3/c1-18-10-13-15(11(16)17)9(12)14(10)7-8-5-3-2-4-6-8/h2-6,12H,7H2,1H3,(H,16,17)